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DocumentationIdentifier: MM61161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61161 |
| SMILES |
C#CCC(=O)C(C)(O)C#N
|
| InChIKey |
JIMFTUBHNFDXII-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM242366
Similarity: 0.6821
Similarity to MM242366
| Tanimoto metric | 0.6821 |
|---|---|
| Cosine metric | 0.8121 |
| Dice metric | 0.811 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50469
Similarity: 0.6667
Similarity to MM50469
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242313
Similarity: 0.6536
Similarity to MM242313
| Tanimoto metric | 0.6536 |
|---|---|
| Cosine metric | 0.791 |
| Dice metric | 0.7905 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
